Information card for entry 4127087

Structure parameters

• Formula: C76 H96 O8
• Calculated formula: C76 H96 O8
• Title of publication: A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.
• Authors of publication: Robinson, Emily E.; Thomson, Regan J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 6.6513 ± 0.0004 Å
• b: 9.3115 ± 0.0005 Å
• c: 24.8763 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No